UCSF

ZINC22351030

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.50 10.81 -10.14 0 3 0 24 358.432 5
Lo Low (pH 4.5-6) 4.50 12.39 -53.52 1 3 1 25 359.44 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )